4-(4-fluorophenoxy)-2-(methylamino)butanenitrile

C11H13FN2O — CID 63028632

IUPAC4-(4-fluorophenoxy)-2-(methylamino)butanenitrile
SMILESCNC(C#N)CCOc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O/c1-14-10(8-13)6-7-15-11-4-2-9(12)3-5-11/h2-5,10,14H,6-7H2,1H3
InChIKeyMAFMPKJKHYONFQ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.71
Rot. Bonds5

About 4-(4-fluorophenoxy)-2-(methylamino)butanenitrile

4-(4-fluorophenoxy)-2-(methylamino)butanenitrile (PubChem CID 63028632) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-(methylamino)butanenitrile
PubChem CID63028632
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name4-(4-fluorophenoxy)-2-(methylamino)butanenitrile
SMILESCNC(C#N)CCOc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O/c1-14-10(8-13)6-7-15-11-4-2-9(12)3-5-11/h2-5,10,14H,6-7H2,1H3
InChIKeyMAFMPKJKHYONFQ-UHFFFAOYSA-N
XLogP1.71
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(hydroxymethyl)phenoxy]-2-(methylamino)butanenitrile
CID 63052980
2-(methylamino)-4-naphthalen-2-yloxybutanenitrile
CID 63028831
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butanenitrile
CID 55143143
2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
CID 63028658
4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63028231
4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile
CID 55144879
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
4-(4-fluorophenoxy)-2-(4-nitrophenyl)butanenitrile
CID 82137370
4-(2-fluorophenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63027275
4-(4-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 107667821
3-(4-butan-2-ylphenoxy)-2-(methylamino)propanenitrile
CID 107667837
4-[2-(4-fluoroanilino)ethoxy]benzonitrile
CID 134030965

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-(methylamino)butanenitrile?
The IUPAC name of 4-(4-fluorophenoxy)-2-(methylamino)butanenitrile (CID 63028632) is 4-(4-fluorophenoxy)-2-(methylamino)butanenitrile.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-(methylamino)butanenitrile?
The canonical SMILES for 4-(4-fluorophenoxy)-2-(methylamino)butanenitrile is CNC(C#N)CCOc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-(methylamino)butanenitrile?
The InChIKey is MAFMPKJKHYONFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-14-10(8-13)6-7-15-11-4-2-9(12)3-5-11/h2-5,10,14H,6-7H2,1H3.
What are the key properties of 4-(4-fluorophenoxy)-2-(methylamino)butanenitrile?
4-(4-fluorophenoxy)-2-(methylamino)butanenitrile has a molecular weight of 208.24 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-(methylamino)butanenitrile is sourced from PubChem (CID 63028632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).